SCHEMBL5332957

SCHEMBL5332957

CC(=S)CCCCCC(=O)N1CCN(CC(=O)Nc2nc([N+](=O)[O-])cs2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RAD52 P43351 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.38
AHR P35869 1/20 0.37
HTT P42858 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5458782 0.99 KDM4E (0.41) KDM4EUSP2ALOX15HSD17B10LMNA
SCHEMBL5332966 0.88 KDM4E (0.39) KDM4EUSP2ALOX15HSD17B10LMNA
SCHEMBL5451271 0.87 KDM4E (0.40) KDM4EUSP2ALOX15HSD17B10LMNA
SCHEMBL5333035 0.85 KDM4E (0.57) KDM4EUSP2ALOX15HSD17B10LMNA
SCHEMBL5334983 0.84 KDM4E (0.58) KDM4EUSP2ALOX15HSD17B10LMNA
SCHEMBL5335453 0.82 KMT2A (0.45) KDM4EUSP2ALOX15HSD17B10LMNA
SCHEMBL5421095 0.78 KCNA5 (0.53) LMNASMN1; SMN2KMT2A
SCHEMBL5374246 0.75 SLC27A1 (0.56) ALDH1A1MAPTHDAC3HDAC4HDAC1
SCHEMBL14520832 0.75 KDM4E (0.58) KDM4EUSP2ALOX15HSD17B10LMNA
SCHEMBL5336629 0.75 CLK1 (0.67) KDM4ELMNASMN1; SMN2ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070088043-A1 Novel HDAC inhibitors ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-04-19 US claimed
WO-2007045962-A2 NOVEL HDAC INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-26 WO disclosed
US-20070088043-A1 Novel HDAC inhibitors ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-04-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070088043-A1 Novel HDAC inhibitors HDAC1, HDAC11, HDAC5 KDM4E 453/4885USP2 2376/4885ALOX15 3802/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.